The DOI matches its Crossref record; 4 of the 4 references it cites were found in a registry or an index.
Structure, Conformation, and Electronic Properties of Apigenin, Luteolin, and Taxifolin Antioxidants. A First Principle Theoretical Study
Abstract
The structural and electronic properties of apigenin, luteolin, and taxifolin and their radicals were investigated at density functional level of theory employing the B3LYP exchange-correlation potential coupled with the 6-311++G** basis set. Results indicated that the presence of a dihydroxy functionality increases the radical stability through H-bonds formation and favors hydrogen atom abstraction. Bond dissociation energy and ionization potential were also determined in order to know if the antioxidant activity of these compounds proceeds via an H-atom or an electron-transfer mechanism.
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Citations
Cites
Density-functional thermochemistry. III. The role of exact exchange
Becke, A. D. (1993) · The Journal of Chemical Physics · doi:10.1063/1.464913 · Cited by 103,767
Lee, C., Yang, W., & Parr, R. G. (1988) · Physical Review B · doi:10.1103/physrevb.37.785 · Cited by 100,874
Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions
Krishnan, R., Binkley, J. S., Seeger, R., & Pople, J. A. (1980) · The Journal of Chemical Physics · doi:10.1063/1.438955 · Cited by 17,772
Structure-antioxidant activity relationships of flavonoids and phenolic acids
Rice-Evans, C. A., Miller, N. J., & Paganga, G. (1996) · Free Radical Biology and Medicine · doi:10.1016/0891-5849(95)02227-9 · Cited by 9,085
Cited by
Iron Chelation by the Powerful Antioxidant Flavonoid Quercetin
Leopoldini, M., Russo, N., Chiodo, S., & Toscano, M. (2006) · Journal of Agricultural and Food Chemistry · doi:10.1021/jf060986h · Cited by 484
Self-citationRecent developments of gallic acid derivatives and their hybrids in medicinal chemistry: A review
AL Zahrani, N. A., El-Shishtawy, R. M., & Asiri, A. M. (2020) · European Journal of Medicinal Chemistry · doi:10.1016/j.ejmech.2020.112609 · Cited by 346
Free Radical Scavenging by Natural Polyphenols: Atom versus Electron Transfer
Di Meo, F., Lemaur, V., Cornil, J., Lazzaroni, R., Duroux, J.-L., Olivier, Y., & Trouillas, P. (2013) · The Journal of Physical Chemistry A · doi:10.1021/jp3116319 · Cited by 294
Metadata
- Authors
- Leopoldini, M., Pitarch, I. P., Russo, N., & Toscano, M.
- Venue
- The Journal of Physical Chemistry A
- Publisher
- American Chemical Society (ACS)
- Published
- 2003-12-11
- Volume
- 108
- Issue
- 1
- Pages
- 92-96
- ISSN
- 1089-5639 (ISSN-L)
- 1520-5215
- OpenAlex
- W2067154070
- Cited by
- 335
- References
- 4
- FWCI
- 3.05
- Type
- journal article
- Language
- en
- Open access
- closed
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